SCHEMBL29101321

SCHEMBL29101321

Cc1ccc(S(=O)(=O)n2cnc([N+](=O)[O-])n2)c(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.34
ACHE P22303 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27870034 0.85 KDM4E (0.43) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL5694172 0.82 POLB (0.41) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL3245827 0.81 POLB (0.42) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL1123625 0.77 KMT2A (0.43) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL216889 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL30614582 0.73 HTT (0.43) KDM4EALDH1A1KMT2AMAPTCYP2C19
SCHEMBL29352125 0.70 KMT2A (0.51) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL4340669 0.70 KMT2A (0.51) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL11199689 0.68 KDM4E (0.48) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL28743018 0.67 POLB (0.37) KDM4EALDH1A1GAAMAPTCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051327-B Cyclic dinucleotides as anticancer agents 百时美施贵宝公司 2023-11-03 CN disclosed
CN-116323630-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed